N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C13H24N4O2S — CID 95142288

IUPACN-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC[C@H](C)N(C)C1CC1
InChIInChI=1S/C13H24N4O2S/c1-9(16(4)12-6-7-12)8-14-20(18,19)13-10(2)15-17(5)11(13)3/h9,12,14H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyLUHZDAFXKVCLQY-VIFPVBQESA-N
MW300.43 g/mol
LogP0.80
Rot. Bonds6

About N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 95142288) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID95142288
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC[C@H](C)N(C)C1CC1
InChIInChI=1S/C13H24N4O2S/c1-9(16(4)12-6-7-12)8-14-20(18,19)13-10(2)15-17(5)11(13)3/h9,12,14H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyLUHZDAFXKVCLQY-VIFPVBQESA-N
XLogP0.80
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 95142288) is N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NC[C@H](C)N(C)C1CC1.
What is the InChIKey of N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is LUHZDAFXKVCLQY-VIFPVBQESA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-9(16(4)12-6-7-12)8-14-20(18,19)13-10(2)15-17(5)11(13)3/h9,12,14H,6-8H2,1-5H3/t9-/m0/s1.
What are the key properties of N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 95142288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).